Geometry & MOs

Info

ID:	218628
PubChem CID:	85089719
Reduced:	ClFN2O5H24C25 (1)
Stoich.:	ABC2D5E24F25 (1)
Weight, g/mol:	487.194598
ΔH_f, kcal/mol:	-215.72
Dipole, Da:	6.93
IP(EA), eV:	-9.01(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1-methylazetidine

Drug info:

PubChemData

Smile

CCC(C(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)CF)N2C=CC3=C(C2=O)C=C(C=C3)Cl

DOS

IR

Vibrations